2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione
TL;DR: 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione (CAS 51291-32-8) is a chemical compound with molecular formula C14H13N3S and molecular weight 255.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-methyl-5-(1-naphthylmethyl)-4H-1,2,4-triazole-3-thiol, 4-methyl-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione, 4-methyl-5-(naphthalen-1-ylmethyl)-4H-1,2,4-triazole-3-thiol, 4-methyl-5-(naphthylmethyl)-1,2,4-triazole-3-thiol, AO-080/12910115
| Molecular Formula | C14H13N3S |
|---|---|
| Molecular Weight | 255.08 g/mol |
| LogP | 3.22169 |
| Topological Polar Surface Area | 33.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 255.08302 |
| Heavy Atoms | 18 |
| Complexity | 749.5701 |
Chemical Identifiers
| CAS Number | 51291-32-8 |
|---|---|
| SMILES | CN1C(=NNC1=S)CC2=CC=CC3=CC=CC=C32 |
Product Overview
2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione (CAS 51291-32-8), with molecular formula C14H13N3S and molecular weight 255.08 g/mol. IUPAC: 4-methyl-3-(naphthalen-1-ylmethyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione
Property Insights of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione
The XLogP value of 3.22169 indicates that 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.61 Ų, 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione?
The CAS number of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione is 51291-32-8.
What is the molecular formula of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione?
The molecular formula of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione is C14H13N3S.
What is the molecular weight of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione?
The molecular weight of 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione is 255.08 g/mol.
Where can I buy 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione?
You can request a quote for 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dihydro-4-methyl-5-(1-naphthalenylmethyl)-3H-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.